Modeling nitrogen chemistry in combustion

P Glarborg, JA Miller, B Ruscic… - Progress in energy and …, 2018 - Elsevier
Understanding of the chemical processes that govern formation and destruction of nitrogen
oxides (NO x) in combustion processes continues to be a challenge. Even though this area …

Implementation of the NCN pathway of prompt-NO formation in the detailed reaction mechanism

AA Konnov - Combustion and Flame, 2009 - Elsevier
This work presents revised detailed reaction mechanism for small hydrocarbons combustion
with possibly full implementation of available kinetic data related to the prompt NO route via …

The story of NCN as a key species in prompt-NO formation

N Lamoureux, P Desgroux, M Olzmann… - Progress in Energy and …, 2021 - Elsevier
The cyanonitrene radical, NCN, has been shown in the last two decades to play a crucial
role in the formation of prompt-NO in combustion. This has stimulated a large number of …

Modeling of NO formation in low pressure premixed flames

N Lamoureux, H El Merhubi, L Pillier, S De Persis… - Combustion and …, 2016 - Elsevier
In this paper a detailed sub-mechanism NOMecha2. 0 for NO x chemistry at high
temperature is validated on a large experimental database obtained in flames, a jet-stirred …

Theory and modeling of relevance to prompt-NO formation at high pressure

SJ Klippenstein, M Pfeifle, AW Jasper, P Glarborg - Combustion and Flame, 2018 - Elsevier
An improved understanding of NO x formation at high pressures would be of considerable
utility to efforts to develop advanced combustion devices. A combination of theoretical and …

Experimental and numerical study of the role of NCN in prompt-NO formation in low-pressure CH4–O2–N2 and C2H2–O2–N2 flames

N Lamoureux, P Desgroux, A El Bakali… - Combustion and …, 2010 - Elsevier
We report an experimental and modeling study on prompt-NO formation in low-pressure (5.3
kPa) premixed flames. Special emphasis is given to the quantitative detection (and …

An ab initio/Rice-Ramsperger-Kassel-Marcus study of the hydrogen-abstraction reactions of methyl ethers, H 3 COCH 3− x (CH 3) x, x= 0–2, by˙ OH; mechanism and …

CW Zhou, JM Simmie, HJ Curran - Physical Chemistry Chemical …, 2010 - pubs.rsc.org
A theoretical study of the mechanism and kinetics of the H-abstraction reaction from dimethyl
(DME), ethylmethyl (EME) and iso-propylmethyl (IPME) ethers by the˙ OH radical has been …

The OH-initiated atmospheric reaction mechanism and kinetics for levoglucosan emitted in biomass burning

J Bai, X Sun, C Zhang, Y Xu, C Qi - Chemosphere, 2013 - Elsevier
Levoglucosan is a typical molecular tracer of biomass-burning aerosols in the atmosphere.
The mechanism for OH-initiated reaction with levoglucosan is studied at the level of …

Numerical and experimental studies of the NO formation in laminar coflow diffusion flames on their transition to MILD combustion regime

AV Sepman, SE Abtahizadeh, AV Mokhov… - Combustion and …, 2013 - Elsevier
An experimental and numerical study of NO formation in diluted and preheated combustion
has been carried out to provide more insight into the ultimate low-NOx potential of MILD …

Prompt NO formation in flames: The influence of NCN thermochemistry

E Goos, C Sickfeld, F Mauß, L Seidel, B Ruscic… - Proceedings of the …, 2013 - Elsevier
The influence of the route via the NCN radical on NO formation in flames was examined from
a thermochemistry and reaction kinetics perspective. A detailed analysis of available …